4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide

C13H17ClN2O2 — CID 113322275

IUPAC4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H17ClN2O2/c1-16(9-13(18)5-2-3-6-13)12(17)11-8-10(14)4-7-15-11/h4,7-8,18H,2-3,5-6,9H2,1H3
InChIKeyFAHOXFRBPXDKBP-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.11
Rot. Bonds3

About 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide

4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 113322275) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID113322275
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H17ClN2O2/c1-16(9-13(18)5-2-3-6-13)12(17)11-8-10(14)4-7-15-11/h4,7-8,18H,2-3,5-6,9H2,1H3
InChIKeyFAHOXFRBPXDKBP-UHFFFAOYSA-N
XLogP2.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 114951144
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
CID 106551582
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 61053221
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 114953078
4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 24647121
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 115760057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide (CID 113322275) is 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide is CN(CC1(O)CCCC1)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is FAHOXFRBPXDKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(9-13(18)5-2-3-6-13)12(17)11-8-10(14)4-7-15-11/h4,7-8,18H,2-3,5-6,9H2,1H3.
What are the key properties of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide?
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 113322275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).